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Chemical ID: 7330658
Chemical ID:
7330658
Name [?]:
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(p-tolyl)propyl]acetamide
SMILES [?]:
CCC(c1ccc(cc1)C)NC(=O)CSc2nnc(o2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H20ClN3O2S/c1-3-17(14-6-4-13(2)5-7-14)22-18(25)12-27-20-24-23-19(26-20)15-8-10-16(21)11-9-15/h4-11,17H,3,12H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,10,2,6,8,5,9,22,26,23,25,14,7,4,21,24,3,12,19,16,27,11,18,17,13,20,15/E:(4,5)(6,7)(8,9)(10,11)/rA:27cCCCCCCCCCCNCOCSCNNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s3;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20ClN3O2S |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5631 |
Area: | 647.442 |
Solvation: | -2.62297 |
Coulombic: | -38.7814 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 401.911 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.2 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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